Hi,
I have problems with installing Avogadro on 64 bit Linux: is this type of
problem documented anywhere?
I am using Avogdro to quickly plot bi-electronic MOs (from Gaussian
.fchk files
of close shell systems). For this Avogadro certainly calculates the % of s, p,
d etc functions of each MO: is it possible to get these percentages? typically
as a text file. Maybe it exists in CCLIB? How to be sure of what is exactly
calculated?
–
Pierre Vitorge
Laboratoire Analyse et Modelisation pour la Biologie et l
Environnement, LAMBE,
http://www.lambe.univ-evry.fr/pvitorge
http://www.vitorge.name
Saclay :
CEA, DEN, DPC, SECR, LSRM, Bat.391
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